trans 2-[4-[3-(4-bromophenylamino)-3-oxo-1-propenyl]-3-fluorophenyl]benzoxazol-5-ylacetic acid | 695188-19-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: trans 2-[4-[3-(4-bromophenylamino)-3-oxo-1-propenyl]-3-fluorophenyl]benzoxazol-5-ylacetic acid
• 英文别名: 2-[2-[4-[(E)-3-(4-bromoanilino)-3-oxoprop-1-enyl]-3-fluorophenyl]-1,3-benzoxazol-5-yl]acetic acid
• CAS: 695188-19-3
• 化学式: C₂₄H₁₆BrFN₂O₄
• 分子量: 495.304
• InChiKey: DOMYQHAZDYHSDK-ONNFQVAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  92.4
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS<br/>[FR] DERIVES D'ACIDES DE BENZOXAZOLE, DE BENZOTHIAZOLE, ET DE BENZIMIDAZOLE PHARMACEUTIQUEMENT ACTIFS
  申请人：OXFORD GLYCOSCIENCES UK LTD

  公开号：WO2004046122A2

  公开（公告）日：2004-06-03

  Compounds of formula (I): wherein R1, R2 and R3 are independently, hydrogen, halogen, CF3, OR6, NR7R8, NR8COR10, NR8SO2R10 or C1-6 alkyl optionally substituted by hydroxy, C1-6 alkoxy or NR7R8; R4 is NR8CONR8R9, NR8COR9, NR8SO2R9, or W-CONR8R9, where W is a bond, C1-6 alkylene, C2-6 alkenylene or C2-6 alkynylene; and R5 is Formula (A) methods for their synthesis, pharmaceutical compositions comprising them and their use in medicine, in particular for the treatment of cancer.